Molecule

Rhoeadine

AlkaPlorer ID: AK008848

Synonym: '', 'Rhoeadine', '1-Isorheadine', 'Isorhoeadine'

IUPAC Name: (1R,14S,24R)-24-methoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene

Structure

SMILES: CO[C@@H]1O[C@@H]2C3=CC4=C(C=C3CCN(C)[C@H]2C2=CC=C3OCOC3=C21)OCO4

InChI: InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19+,21+/m0/s1

InChIKey: XRBIHOLQAKITPP-QKNQBKEWSA-N

Reference

Alkaloide der Mohngewächse (Papaveraceae) XXIX. Über die Alkaloide einiger Papaver-Arten

PubChem CID: 26202555

LOTUS: LTS0009881

SuperNatural Ⅲ: SN0437759-04

NPASS: NPC209940

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Centaurea sclerolepis	Centaurea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lepista glaucocana	Lepista	Clitocybaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Berberis chitria	Berberis	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tolypothrix distorta	Tolypothrix	Tolypothrichaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 383.4000000000002

TPSA？: 58.620000000000005

MolLogP？: 3.089500000000001

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi